USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -3.19! K(o=-7.4!,f=-5.2) USER MOD Set 1.2: A 79 GLN : amide:sc= -4.18! C(o=-7.4!,f=-6.2!) USER MOD Single : A 30 SER OG : rot 58:sc= 0.0494 USER MOD Single : A 32 SER OG : rot -40:sc= 0.797 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 50 GLN : amide:sc= -1.28 K(o=-1.3,f=-8.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 110:sc= 1.17 USER MOD Single : A 71 SER OG : rot 83:sc= 0.0152 USER MOD Single : A 76 SER OG : rot 80:sc= 0.906 USER MOD Single : A 89 MET CE :methyl 140:sc= -5.18! (180deg=-6.56!) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0855) USER MOD Single : A 95 THR OG1 : rot -159:sc= 0.024 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= -1.55 (180deg=-3.33!) USER MOD Single : A 106 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.12!) USER MOD Single : A 107 TYR OH : rot -148:sc= -0.733 USER MOD Single : A 110 THR OG1 : rot 156:sc= 0.0206 USER MOD Single : A 111 HIS : no HE2:sc= -2.49 K(o=-2.5,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.125 -0.613 4.467 1.00 0.00 N ATOM 348 CA ALA A 23 -11.746 -2.016 4.333 1.00 0.00 C ATOM 349 C ALA A 23 -10.246 -2.257 4.494 1.00 0.00 C ATOM 350 O ALA A 23 -9.752 -3.316 4.110 1.00 0.00 O ATOM 351 CB ALA A 23 -12.220 -2.556 2.996 1.00 0.00 C ATOM 0 HA ALA A 23 -12.235 -2.550 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.933 -3.604 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.305 -2.470 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.763 -1.983 2.189 1.00 0.00 H new ATOM 357 N PHE A 24 -9.520 -1.299 5.064 1.00 0.00 N ATOM 358 CA PHE A 24 -8.087 -1.470 5.262 1.00 0.00 C ATOM 359 C PHE A 24 -7.825 -2.711 6.106 1.00 0.00 C ATOM 360 O PHE A 24 -7.019 -3.565 5.738 1.00 0.00 O ATOM 361 CB PHE A 24 -7.482 -0.237 5.931 1.00 0.00 C ATOM 362 CG PHE A 24 -6.011 -0.100 5.673 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.126 -1.066 6.115 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.515 0.993 4.982 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.775 -0.948 5.874 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.164 1.117 4.741 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.292 0.146 5.186 1.00 0.00 C ATOM 0 H PHE A 24 -9.895 -0.409 5.392 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.614 -1.595 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.994 0.655 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.654 -0.291 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.499 -1.923 6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.194 1.755 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.095 -1.711 6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.788 1.975 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.233 0.242 4.996 1.00 0.00 H new ATOM 377 N GLU A 25 -8.501 -2.798 7.243 1.00 0.00 N ATOM 378 CA GLU A 25 -8.348 -3.939 8.133 1.00 0.00 C ATOM 379 C GLU A 25 -8.806 -5.247 7.482 1.00 0.00 C ATOM 380 O GLU A 25 -8.026 -6.193 7.404 1.00 0.00 O ATOM 381 CB GLU A 25 -9.112 -3.729 9.426 1.00 0.00 C ATOM 382 CG GLU A 25 -8.293 -3.084 10.530 1.00 0.00 C ATOM 383 CD GLU A 25 -8.040 -1.610 10.276 1.00 0.00 C ATOM 384 OE1 GLU A 25 -7.218 -1.292 9.391 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.667 -0.774 10.960 1.00 0.00 O ATOM 0 H GLU A 25 -9.160 -2.092 7.570 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.283 -4.019 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.984 -3.107 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.482 -4.692 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.813 -3.202 11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.339 -3.603 10.622 1.00 0.00 H new ATOM 392 N PRO A 26 -10.085 -5.339 7.027 1.00 0.00 N ATOM 393 CA PRO A 26 -10.603 -6.562 6.396 1.00 0.00 C ATOM 394 C PRO A 26 -9.634 -7.107 5.362 1.00 0.00 C ATOM 395 O PRO A 26 -9.626 -8.300 5.055 1.00 0.00 O ATOM 396 CB PRO A 26 -11.894 -6.095 5.726 1.00 0.00 C ATOM 397 CG PRO A 26 -12.355 -4.948 6.554 1.00 0.00 C ATOM 398 CD PRO A 26 -11.112 -4.274 7.074 1.00 0.00 C ATOM 0 HA PRO A 26 -10.754 -7.370 7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.718 -5.793 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.638 -6.891 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.953 -4.256 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.984 -5.290 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.832 -3.421 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.254 -3.900 8.088 1.00 0.00 H new ATOM 406 N LEU A 27 -8.823 -6.208 4.833 1.00 0.00 N ATOM 407 CA LEU A 27 -7.818 -6.548 3.846 1.00 0.00 C ATOM 408 C LEU A 27 -6.621 -7.200 4.528 1.00 0.00 C ATOM 409 O LEU A 27 -6.116 -8.228 4.078 1.00 0.00 O ATOM 410 CB LEU A 27 -7.392 -5.275 3.129 1.00 0.00 C ATOM 411 CG LEU A 27 -8.311 -4.841 1.985 1.00 0.00 C ATOM 412 CD1 LEU A 27 -8.003 -3.414 1.566 1.00 0.00 C ATOM 413 CD2 LEU A 27 -8.169 -5.783 0.801 1.00 0.00 C ATOM 0 H LEU A 27 -8.844 -5.218 5.078 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.226 -7.255 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.336 -4.466 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.386 -5.417 2.734 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.341 -4.882 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.666 -3.123 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.154 -2.745 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.968 -3.348 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.830 -5.459 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.137 -5.772 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.438 -6.794 1.106 1.00 0.00 H new ATOM 425 N LEU A 28 -6.179 -6.584 5.619 1.00 0.00 N ATOM 426 CA LEU A 28 -5.060 -7.096 6.396 1.00 0.00 C ATOM 427 C LEU A 28 -5.458 -8.397 7.085 1.00 0.00 C ATOM 428 O LEU A 28 -4.606 -9.192 7.482 1.00 0.00 O ATOM 429 CB LEU A 28 -4.623 -6.052 7.433 1.00 0.00 C ATOM 430 CG LEU A 28 -3.678 -6.557 8.526 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.346 -6.985 7.931 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.471 -5.482 9.581 1.00 0.00 C ATOM 0 H LEU A 28 -6.584 -5.723 5.986 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.222 -7.297 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.137 -5.229 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.515 -5.645 7.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.133 -7.427 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.690 -7.340 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.510 -7.786 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.882 -6.136 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.797 -5.854 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.038 -4.596 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.430 -5.224 10.031 1.00 0.00 H new ATOM 444 N GLU A 29 -6.765 -8.604 7.212 1.00 0.00 N ATOM 445 CA GLU A 29 -7.297 -9.803 7.845 1.00 0.00 C ATOM 446 C GLU A 29 -7.201 -10.994 6.897 1.00 0.00 C ATOM 447 O GLU A 29 -7.172 -12.147 7.329 1.00 0.00 O ATOM 448 CB GLU A 29 -8.754 -9.582 8.254 1.00 0.00 C ATOM 449 CG GLU A 29 -9.345 -10.729 9.058 1.00 0.00 C ATOM 450 CD GLU A 29 -8.653 -10.921 10.393 1.00 0.00 C ATOM 451 OE1 GLU A 29 -9.034 -10.234 11.364 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.729 -11.759 10.468 1.00 0.00 O ATOM 0 H GLU A 29 -7.477 -7.952 6.883 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.705 -10.014 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.822 -8.666 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.355 -9.431 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.406 -10.542 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.272 -11.650 8.479 1.00 0.00 H new ATOM 459 N SER A 30 -7.151 -10.700 5.599 1.00 0.00 N ATOM 460 CA SER A 30 -7.065 -11.738 4.578 1.00 0.00 C ATOM 461 C SER A 30 -5.738 -12.480 4.660 1.00 0.00 C ATOM 462 O SER A 30 -5.631 -13.626 4.221 1.00 0.00 O ATOM 463 CB SER A 30 -7.229 -11.127 3.186 1.00 0.00 C ATOM 464 OG SER A 30 -8.516 -10.555 3.028 1.00 0.00 O ATOM 0 H SER A 30 -7.169 -9.749 5.231 1.00 0.00 H new ATOM 0 HA SER A 30 -7.870 -12.450 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.467 -10.364 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.073 -11.895 2.428 1.00 0.00 H new ATOM 0 HG SER A 30 -8.658 -9.873 3.718 1.00 0.00 H new ATOM 470 N LEU A 31 -4.727 -11.825 5.222 1.00 0.00 N ATOM 471 CA LEU A 31 -3.410 -12.434 5.357 1.00 0.00 C ATOM 472 C LEU A 31 -3.464 -13.625 6.303 1.00 0.00 C ATOM 473 O LEU A 31 -2.513 -14.403 6.394 1.00 0.00 O ATOM 474 CB LEU A 31 -2.390 -11.412 5.863 1.00 0.00 C ATOM 475 CG LEU A 31 -2.178 -10.194 4.960 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.134 -9.266 5.561 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.760 -10.626 3.561 1.00 0.00 C ATOM 0 H LEU A 31 -4.795 -10.876 5.590 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.098 -12.781 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.707 -11.064 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.432 -11.915 5.997 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.123 -9.655 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.994 -8.405 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.469 -8.927 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.189 -9.800 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.615 -9.745 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.828 -11.189 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.538 -11.254 3.127 1.00 0.00 H new ATOM 489 N SER A 32 -4.588 -13.770 6.997 1.00 0.00 N ATOM 490 CA SER A 32 -4.770 -14.869 7.934 1.00 0.00 C ATOM 491 C SER A 32 -5.350 -16.088 7.223 1.00 0.00 C ATOM 492 O SER A 32 -5.714 -17.076 7.860 1.00 0.00 O ATOM 493 CB SER A 32 -5.698 -14.444 9.075 1.00 0.00 C ATOM 494 OG SER A 32 -5.862 -15.488 10.020 1.00 0.00 O ATOM 0 H SER A 32 -5.386 -13.139 6.927 1.00 0.00 H new ATOM 0 HA SER A 32 -3.796 -15.133 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.290 -13.563 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.670 -14.161 8.670 1.00 0.00 H new ATOM 0 HG SER A 32 -5.941 -16.345 9.551 1.00 0.00 H new ATOM 500 N ASN A 33 -5.422 -16.012 5.895 1.00 0.00 N ATOM 501 CA ASN A 33 -5.954 -17.109 5.092 1.00 0.00 C ATOM 502 C ASN A 33 -4.837 -17.907 4.436 1.00 0.00 C ATOM 503 O ASN A 33 -3.938 -17.342 3.814 1.00 0.00 O ATOM 504 CB ASN A 33 -6.899 -16.577 4.015 1.00 0.00 C ATOM 505 CG ASN A 33 -8.345 -16.586 4.460 1.00 0.00 C ATOM 506 OD1 ASN A 33 -9.077 -17.544 4.208 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.764 -15.522 5.131 1.00 0.00 N ATOM 0 H ASN A 33 -5.119 -15.202 5.354 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.504 -17.768 5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.609 -15.560 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.795 -17.181 3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.728 -15.474 5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.122 -14.751 5.317 1.00 0.00 H new ATOM 514 N GLU A 34 -4.896 -19.224 4.590 1.00 0.00 N ATOM 515 CA GLU A 34 -3.900 -20.110 4.004 1.00 0.00 C ATOM 516 C GLU A 34 -4.007 -20.121 2.483 1.00 0.00 C ATOM 517 O GLU A 34 -3.207 -20.762 1.801 1.00 0.00 O ATOM 518 CB GLU A 34 -4.062 -21.526 4.557 1.00 0.00 C ATOM 519 CG GLU A 34 -5.484 -22.052 4.466 1.00 0.00 C ATOM 520 CD GLU A 34 -5.636 -23.432 5.073 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.775 -23.525 6.310 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.618 -24.421 4.310 1.00 0.00 O ATOM 0 H GLU A 34 -5.626 -19.703 5.118 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.912 -19.737 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.399 -22.198 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.744 -21.539 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.156 -21.360 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.789 -22.084 3.420 1.00 0.00 H new ATOM 529 N ASP A 35 -5.006 -19.417 1.958 1.00 0.00 N ATOM 530 CA ASP A 35 -5.214 -19.347 0.516 1.00 0.00 C ATOM 531 C ASP A 35 -4.224 -18.381 -0.126 1.00 0.00 C ATOM 532 O ASP A 35 -3.783 -17.421 0.504 1.00 0.00 O ATOM 533 CB ASP A 35 -6.647 -18.912 0.204 1.00 0.00 C ATOM 534 CG ASP A 35 -7.678 -19.842 0.812 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.040 -20.840 0.153 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.125 -19.573 1.947 1.00 0.00 O ATOM 0 H ASP A 35 -5.682 -18.888 2.509 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.048 -20.341 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.807 -17.901 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.786 -18.876 -0.877 1.00 0.00 H new ATOM 541 N TRP A 36 -3.875 -18.644 -1.383 1.00 0.00 N ATOM 542 CA TRP A 36 -2.935 -17.796 -2.109 1.00 0.00 C ATOM 543 C TRP A 36 -3.661 -16.651 -2.809 1.00 0.00 C ATOM 544 O TRP A 36 -3.235 -15.498 -2.739 1.00 0.00 O ATOM 545 CB TRP A 36 -2.153 -18.622 -3.135 1.00 0.00 C ATOM 546 CG TRP A 36 -1.373 -19.755 -2.534 1.00 0.00 C ATOM 547 CD1 TRP A 36 -0.964 -19.876 -1.235 1.00 0.00 C ATOM 548 CD2 TRP A 36 -0.901 -20.926 -3.211 1.00 0.00 C ATOM 549 NE1 TRP A 36 -0.270 -21.049 -1.066 1.00 0.00 N ATOM 550 CE2 TRP A 36 -0.218 -21.710 -2.262 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.991 -21.388 -4.527 1.00 0.00 C ATOM 552 CZ2 TRP A 36 0.371 -22.929 -2.587 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.405 -22.600 -4.848 1.00 0.00 C ATOM 554 CH2 TRP A 36 0.267 -23.356 -3.880 1.00 0.00 C ATOM 0 H TRP A 36 -4.229 -19.437 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.237 -17.373 -1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.850 -19.023 -3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.467 -17.965 -3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.158 -19.154 -0.455 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.140 -21.374 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.508 -20.810 -5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.891 -23.515 -1.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.467 -22.968 -5.861 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.713 -24.298 -4.162 1.00 0.00 H new ATOM 565 N ARG A 37 -4.757 -16.979 -3.484 1.00 0.00 N ATOM 566 CA ARG A 37 -5.546 -15.987 -4.203 1.00 0.00 C ATOM 567 C ARG A 37 -6.079 -14.914 -3.258 1.00 0.00 C ATOM 568 O ARG A 37 -6.146 -13.738 -3.615 1.00 0.00 O ATOM 569 CB ARG A 37 -6.708 -16.674 -4.923 1.00 0.00 C ATOM 570 CG ARG A 37 -7.539 -15.729 -5.769 1.00 0.00 C ATOM 571 CD ARG A 37 -8.675 -16.456 -6.469 1.00 0.00 C ATOM 572 NE ARG A 37 -9.385 -15.583 -7.402 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.268 -16.017 -8.297 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.551 -17.309 -8.381 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.866 -15.158 -9.112 1.00 0.00 N ATOM 0 H ARG A 37 -5.120 -17.930 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.900 -15.501 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.313 -17.467 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.353 -17.150 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.946 -14.938 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.902 -15.249 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.279 -17.317 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.374 -16.839 -5.726 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.192 -14.582 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.091 -17.973 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.229 -17.639 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.649 -14.163 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.543 -15.492 -9.798 1.00 0.00 H new ATOM 589 N ILE A 38 -6.456 -15.328 -2.053 1.00 0.00 N ATOM 590 CA ILE A 38 -6.987 -14.404 -1.059 1.00 0.00 C ATOM 591 C ILE A 38 -5.877 -13.554 -0.445 1.00 0.00 C ATOM 592 O ILE A 38 -5.927 -12.325 -0.494 1.00 0.00 O ATOM 593 CB ILE A 38 -7.727 -15.153 0.065 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.872 -15.986 -0.516 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.249 -14.168 1.101 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.564 -16.863 0.505 1.00 0.00 C ATOM 0 H ILE A 38 -6.403 -16.298 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.691 -13.754 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.027 -15.829 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.606 -15.316 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.483 -16.614 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.770 -14.711 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.414 -13.616 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.938 -13.470 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.364 -17.423 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.843 -17.558 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.984 -16.240 1.295 1.00 0.00 H new ATOM 608 N ARG A 39 -4.881 -14.217 0.135 1.00 0.00 N ATOM 609 CA ARG A 39 -3.760 -13.523 0.762 1.00 0.00 C ATOM 610 C ARG A 39 -3.031 -12.636 -0.245 1.00 0.00 C ATOM 611 O ARG A 39 -2.364 -11.672 0.132 1.00 0.00 O ATOM 612 CB ARG A 39 -2.779 -14.531 1.368 1.00 0.00 C ATOM 613 CG ARG A 39 -1.676 -13.886 2.193 1.00 0.00 C ATOM 614 CD ARG A 39 -0.702 -14.919 2.741 1.00 0.00 C ATOM 615 NE ARG A 39 -1.364 -15.910 3.585 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.723 -16.680 4.461 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.589 -16.565 4.616 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.395 -17.564 5.187 1.00 0.00 N ATOM 0 H ARG A 39 -4.827 -15.234 0.184 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.160 -12.891 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.331 -15.229 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.327 -15.114 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.135 -13.167 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.118 -13.329 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.206 -15.424 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.074 -14.414 3.317 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.375 -16.018 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.110 -15.885 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.077 -17.157 5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.405 -17.654 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.902 -18.153 5.858 1.00 0.00 H new ATOM 632 N GLY A 40 -3.167 -12.966 -1.527 1.00 0.00 N ATOM 633 CA GLY A 40 -2.512 -12.194 -2.569 1.00 0.00 C ATOM 634 C GLY A 40 -3.221 -10.886 -2.864 1.00 0.00 C ATOM 635 O GLY A 40 -2.633 -9.812 -2.738 1.00 0.00 O ATOM 0 H GLY A 40 -3.720 -13.755 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.485 -11.986 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.464 -12.790 -3.481 1.00 0.00 H new ATOM 639 N ALA A 41 -4.489 -10.982 -3.259 1.00 0.00 N ATOM 640 CA ALA A 41 -5.293 -9.807 -3.577 1.00 0.00 C ATOM 641 C ALA A 41 -5.254 -8.780 -2.448 1.00 0.00 C ATOM 642 O ALA A 41 -5.448 -7.586 -2.676 1.00 0.00 O ATOM 643 CB ALA A 41 -6.728 -10.219 -3.868 1.00 0.00 C ATOM 0 H ALA A 41 -4.983 -11.868 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.868 -9.339 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.320 -9.335 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.745 -10.904 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.149 -10.714 -2.993 1.00 0.00 H new ATOM 649 N ALA A 42 -5.004 -9.253 -1.230 1.00 0.00 N ATOM 650 CA ALA A 42 -4.935 -8.373 -0.069 1.00 0.00 C ATOM 651 C ALA A 42 -3.821 -7.343 -0.236 1.00 0.00 C ATOM 652 O ALA A 42 -4.063 -6.138 -0.170 1.00 0.00 O ATOM 653 CB ALA A 42 -4.721 -9.190 1.196 1.00 0.00 C ATOM 0 H ALA A 42 -4.846 -10.239 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.881 -7.838 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.671 -8.522 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.550 -9.886 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.788 -9.748 1.115 1.00 0.00 H new ATOM 659 N ALA A 43 -2.602 -7.828 -0.453 1.00 0.00 N ATOM 660 CA ALA A 43 -1.449 -6.954 -0.644 1.00 0.00 C ATOM 661 C ALA A 43 -1.587 -6.148 -1.930 1.00 0.00 C ATOM 662 O ALA A 43 -1.167 -4.992 -2.002 1.00 0.00 O ATOM 663 CB ALA A 43 -0.176 -7.776 -0.688 1.00 0.00 C ATOM 0 H ALA A 43 -2.387 -8.824 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.403 -6.261 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.679 -7.115 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.062 -8.320 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.229 -8.485 -1.514 1.00 0.00 H new ATOM 669 N TRP A 44 -2.176 -6.778 -2.944 1.00 0.00 N ATOM 670 CA TRP A 44 -2.374 -6.145 -4.243 1.00 0.00 C ATOM 671 C TRP A 44 -3.136 -4.827 -4.118 1.00 0.00 C ATOM 672 O TRP A 44 -2.902 -3.892 -4.884 1.00 0.00 O ATOM 673 CB TRP A 44 -3.120 -7.094 -5.185 1.00 0.00 C ATOM 674 CG TRP A 44 -2.204 -7.987 -5.967 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.376 -8.948 -5.467 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.023 -7.999 -7.388 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.684 -9.553 -6.488 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.064 -8.989 -7.677 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.575 -7.268 -8.446 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.647 -9.268 -8.976 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.160 -7.547 -9.735 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.205 -8.540 -9.991 1.00 0.00 C ATOM 0 H TRP A 44 -2.527 -7.734 -2.888 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.390 -5.924 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.807 -7.708 -4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.725 -6.508 -5.877 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.278 -9.197 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.001 -10.301 -6.378 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.311 -6.500 -8.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.090 -10.032 -9.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.579 -6.990 -10.559 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.904 -8.734 -11.010 1.00 0.00 H new ATOM 693 N ILE A 45 -4.050 -4.759 -3.155 1.00 0.00 N ATOM 694 CA ILE A 45 -4.843 -3.554 -2.941 1.00 0.00 C ATOM 695 C ILE A 45 -4.274 -2.730 -1.793 1.00 0.00 C ATOM 696 O ILE A 45 -4.489 -1.520 -1.707 1.00 0.00 O ATOM 697 CB ILE A 45 -6.318 -3.898 -2.643 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.901 -4.770 -3.762 1.00 0.00 C ATOM 699 CG2 ILE A 45 -7.140 -2.629 -2.466 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.879 -4.116 -5.131 1.00 0.00 C ATOM 0 H ILE A 45 -4.259 -5.523 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.799 -2.970 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.359 -4.462 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.342 -5.705 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.930 -5.026 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.177 -2.893 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.739 -2.048 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.094 -2.035 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.308 -4.797 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.463 -3.196 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.850 -3.885 -5.407 1.00 0.00 H new ATOM 712 N ILE A 46 -3.536 -3.403 -0.919 1.00 0.00 N ATOM 713 CA ILE A 46 -2.934 -2.766 0.244 1.00 0.00 C ATOM 714 C ILE A 46 -1.972 -1.646 -0.157 1.00 0.00 C ATOM 715 O ILE A 46 -1.840 -0.649 0.551 1.00 0.00 O ATOM 716 CB ILE A 46 -2.202 -3.820 1.115 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.656 -3.737 2.573 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.688 -3.667 1.030 1.00 0.00 C ATOM 719 CD1 ILE A 46 -4.157 -3.825 2.762 1.00 0.00 C ATOM 0 H ILE A 46 -3.339 -4.401 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.737 -2.316 0.827 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.466 -4.801 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.182 -4.542 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.302 -2.798 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.210 -4.423 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.367 -3.794 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.402 -2.675 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.395 -3.758 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.639 -3.005 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.518 -4.775 2.368 1.00 0.00 H new ATOM 731 N GLY A 47 -1.313 -1.810 -1.296 1.00 0.00 N ATOM 732 CA GLY A 47 -0.367 -0.809 -1.753 1.00 0.00 C ATOM 733 C GLY A 47 -1.033 0.473 -2.211 1.00 0.00 C ATOM 734 O GLY A 47 -0.404 1.531 -2.238 1.00 0.00 O ATOM 0 H GLY A 47 -1.416 -2.617 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.330 -0.581 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.220 -1.220 -2.575 1.00 0.00 H new ATOM 738 N ASN A 48 -2.307 0.382 -2.572 1.00 0.00 N ATOM 739 CA ASN A 48 -3.053 1.543 -3.048 1.00 0.00 C ATOM 740 C ASN A 48 -3.343 2.542 -1.926 1.00 0.00 C ATOM 741 O ASN A 48 -3.837 3.639 -2.185 1.00 0.00 O ATOM 742 CB ASN A 48 -4.364 1.101 -3.697 1.00 0.00 C ATOM 743 CG ASN A 48 -4.143 0.248 -4.931 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.093 0.759 -6.052 1.00 0.00 O ATOM 745 ND2 ASN A 48 -4.006 -1.056 -4.733 1.00 0.00 N ATOM 0 H ASN A 48 -2.846 -0.483 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.429 2.045 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.953 0.539 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.947 1.982 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.852 -1.679 -5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.054 -1.436 -3.788 1.00 0.00 H new ATOM 752 N PHE A 49 -3.045 2.164 -0.683 1.00 0.00 N ATOM 753 CA PHE A 49 -3.293 3.046 0.455 1.00 0.00 C ATOM 754 C PHE A 49 -2.052 3.854 0.833 1.00 0.00 C ATOM 755 O PHE A 49 -2.164 4.947 1.389 1.00 0.00 O ATOM 756 CB PHE A 49 -3.764 2.235 1.659 1.00 0.00 C ATOM 757 CG PHE A 49 -4.954 1.368 1.370 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.213 1.924 1.221 1.00 0.00 C ATOM 759 CD2 PHE A 49 -4.812 -0.004 1.247 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.309 1.127 0.951 1.00 0.00 C ATOM 761 CE2 PHE A 49 -5.904 -0.805 0.979 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.153 -0.238 0.831 1.00 0.00 C ATOM 0 H PHE A 49 -2.636 1.262 -0.441 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.072 3.748 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.944 1.607 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.011 2.917 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.340 2.992 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.836 -0.452 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.286 1.572 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.781 -1.874 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.008 -0.863 0.621 1.00 0.00 H new ATOM 772 N GLN A 50 -0.874 3.314 0.530 1.00 0.00 N ATOM 773 CA GLN A 50 0.385 3.988 0.850 1.00 0.00 C ATOM 774 C GLN A 50 0.491 4.266 2.343 1.00 0.00 C ATOM 775 O GLN A 50 1.120 5.237 2.764 1.00 0.00 O ATOM 776 CB GLN A 50 0.512 5.295 0.068 1.00 0.00 C ATOM 777 CG GLN A 50 0.730 5.079 -1.416 1.00 0.00 C ATOM 778 CD GLN A 50 -0.539 5.233 -2.230 1.00 0.00 C ATOM 779 OE1 GLN A 50 -1.639 4.973 -1.745 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.392 5.659 -3.479 1.00 0.00 N ATOM 0 H GLN A 50 -0.763 2.413 0.064 1.00 0.00 H new ATOM 0 HA GLN A 50 1.200 3.324 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.390 5.889 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.343 5.874 0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.474 5.790 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.139 4.081 -1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.539 5.863 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.210 5.782 -4.076 1.00 0.00 H new ATOM 789 N ASP A 51 -0.121 3.399 3.137 1.00 0.00 N ATOM 790 CA ASP A 51 -0.105 3.544 4.587 1.00 0.00 C ATOM 791 C ASP A 51 0.895 2.581 5.222 1.00 0.00 C ATOM 792 O ASP A 51 1.301 1.598 4.604 1.00 0.00 O ATOM 793 CB ASP A 51 -1.504 3.298 5.156 1.00 0.00 C ATOM 794 CG ASP A 51 -1.609 3.664 6.624 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.655 4.874 6.931 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.645 2.741 7.464 1.00 0.00 O ATOM 0 H ASP A 51 -0.636 2.585 2.801 1.00 0.00 H new ATOM 0 HA ASP A 51 0.204 4.562 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.231 3.879 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.765 2.247 5.028 1.00 0.00 H new ATOM 801 N GLU A 52 1.286 2.875 6.459 1.00 0.00 N ATOM 802 CA GLU A 52 2.237 2.041 7.185 1.00 0.00 C ATOM 803 C GLU A 52 1.679 0.636 7.405 1.00 0.00 C ATOM 804 O GLU A 52 2.410 -0.352 7.330 1.00 0.00 O ATOM 805 CB GLU A 52 2.586 2.687 8.527 1.00 0.00 C ATOM 806 CG GLU A 52 1.368 3.000 9.383 1.00 0.00 C ATOM 807 CD GLU A 52 1.729 3.687 10.685 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.885 4.928 10.680 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.853 2.987 11.712 1.00 0.00 O ATOM 0 H GLU A 52 0.957 3.688 6.980 1.00 0.00 H new ATOM 0 HA GLU A 52 3.143 1.956 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.248 2.021 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.139 3.608 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.686 3.636 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.835 2.075 9.601 1.00 0.00 H new ATOM 816 N ARG A 53 0.380 0.559 7.676 1.00 0.00 N ATOM 817 CA ARG A 53 -0.287 -0.720 7.903 1.00 0.00 C ATOM 818 C ARG A 53 -0.313 -1.547 6.620 1.00 0.00 C ATOM 819 O ARG A 53 -0.679 -2.722 6.630 1.00 0.00 O ATOM 820 CB ARG A 53 -1.715 -0.493 8.420 1.00 0.00 C ATOM 821 CG ARG A 53 -2.400 -1.758 8.913 1.00 0.00 C ATOM 822 CD ARG A 53 -3.401 -1.454 10.018 1.00 0.00 C ATOM 823 NE ARG A 53 -2.777 -0.767 11.148 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.446 -0.350 12.220 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.753 -0.555 12.312 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.806 0.271 13.202 1.00 0.00 N ATOM 0 H ARG A 53 -0.234 1.370 7.744 1.00 0.00 H new ATOM 0 HA ARG A 53 0.274 -1.272 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.686 0.233 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.314 -0.054 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.910 -2.245 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.651 -2.459 9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.206 -0.837 9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.853 -2.384 10.364 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.772 -0.598 11.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.248 -1.034 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.263 -0.234 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.801 0.429 13.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.319 0.590 14.023 1.00 0.00 H new ATOM 840 N ALA A 54 0.082 -0.920 5.516 1.00 0.00 N ATOM 841 CA ALA A 54 0.093 -1.582 4.219 1.00 0.00 C ATOM 842 C ALA A 54 1.508 -1.965 3.819 1.00 0.00 C ATOM 843 O ALA A 54 1.715 -2.686 2.846 1.00 0.00 O ATOM 844 CB ALA A 54 -0.518 -0.673 3.168 1.00 0.00 C ATOM 0 H ALA A 54 0.399 0.049 5.496 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.500 -2.494 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.506 -1.176 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.547 -0.439 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.059 0.249 3.105 1.00 0.00 H new ATOM 850 N VAL A 55 2.476 -1.474 4.581 1.00 0.00 N ATOM 851 CA VAL A 55 3.879 -1.752 4.318 1.00 0.00 C ATOM 852 C VAL A 55 4.296 -3.098 4.906 1.00 0.00 C ATOM 853 O VAL A 55 5.115 -3.811 4.325 1.00 0.00 O ATOM 854 CB VAL A 55 4.774 -0.647 4.910 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.237 -0.944 4.646 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.391 0.711 4.343 1.00 0.00 C ATOM 0 H VAL A 55 2.312 -0.877 5.392 1.00 0.00 H new ATOM 0 HA VAL A 55 4.005 -1.783 3.236 1.00 0.00 H new ATOM 0 HB VAL A 55 4.621 -0.624 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.852 -0.151 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.503 -1.896 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.409 -0.998 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.034 1.479 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.512 0.700 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.352 0.928 4.589 1.00 0.00 H new ATOM 866 N GLU A 56 3.724 -3.442 6.055 1.00 0.00 N ATOM 867 CA GLU A 56 4.050 -4.700 6.722 1.00 0.00 C ATOM 868 C GLU A 56 3.722 -5.911 5.843 1.00 0.00 C ATOM 869 O GLU A 56 4.573 -6.779 5.652 1.00 0.00 O ATOM 870 CB GLU A 56 3.329 -4.812 8.067 1.00 0.00 C ATOM 871 CG GLU A 56 3.827 -5.968 8.917 1.00 0.00 C ATOM 872 CD GLU A 56 2.950 -6.228 10.126 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.157 -5.563 11.163 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.058 -7.096 10.035 1.00 0.00 O ATOM 0 H GLU A 56 3.035 -2.870 6.543 1.00 0.00 H new ATOM 0 HA GLU A 56 5.125 -4.697 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.457 -3.881 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.260 -4.933 7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.872 -6.869 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.843 -5.757 9.250 1.00 0.00 H new ATOM 881 N PRO A 57 2.488 -5.999 5.298 1.00 0.00 N ATOM 882 CA PRO A 57 2.090 -7.124 4.444 1.00 0.00 C ATOM 883 C PRO A 57 3.064 -7.363 3.301 1.00 0.00 C ATOM 884 O PRO A 57 3.302 -8.503 2.905 1.00 0.00 O ATOM 885 CB PRO A 57 0.733 -6.698 3.894 1.00 0.00 C ATOM 886 CG PRO A 57 0.197 -5.745 4.903 1.00 0.00 C ATOM 887 CD PRO A 57 1.389 -5.025 5.464 1.00 0.00 C ATOM 0 HA PRO A 57 2.067 -8.060 5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.833 -6.225 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.071 -7.554 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.502 -5.045 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.346 -6.272 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.589 -4.099 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.242 -4.760 6.511 1.00 0.00 H new ATOM 895 N LEU A 58 3.627 -6.283 2.780 1.00 0.00 N ATOM 896 CA LEU A 58 4.566 -6.376 1.672 1.00 0.00 C ATOM 897 C LEU A 58 5.902 -6.955 2.128 1.00 0.00 C ATOM 898 O LEU A 58 6.621 -7.572 1.345 1.00 0.00 O ATOM 899 CB LEU A 58 4.782 -4.998 1.043 1.00 0.00 C ATOM 900 CG LEU A 58 3.531 -4.120 0.953 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.865 -2.763 0.355 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.445 -4.806 0.138 1.00 0.00 C ATOM 0 H LEU A 58 3.450 -5.333 3.106 1.00 0.00 H new ATOM 0 HA LEU A 58 4.139 -7.048 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.538 -4.467 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.185 -5.133 0.039 1.00 0.00 H new ATOM 0 HG LEU A 58 3.156 -3.967 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.961 -2.157 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.602 -2.261 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.272 -2.897 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.566 -4.163 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.813 -4.997 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.177 -5.751 0.611 1.00 0.00 H new ATOM 914 N ILE A 59 6.225 -6.759 3.401 1.00 0.00 N ATOM 915 CA ILE A 59 7.482 -7.250 3.956 1.00 0.00 C ATOM 916 C ILE A 59 7.573 -8.778 3.912 1.00 0.00 C ATOM 917 O ILE A 59 8.474 -9.335 3.284 1.00 0.00 O ATOM 918 CB ILE A 59 7.667 -6.775 5.415 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.852 -5.254 5.468 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.847 -7.483 6.072 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.096 -4.763 4.758 1.00 0.00 C ATOM 0 H ILE A 59 5.634 -6.264 4.069 1.00 0.00 H new ATOM 0 HA ILE A 59 8.276 -6.838 3.333 1.00 0.00 H new ATOM 0 HB ILE A 59 6.766 -7.031 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.979 -4.776 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.892 -4.939 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.957 -7.132 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.671 -8.559 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.758 -7.265 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.157 -3.678 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.977 -5.211 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.050 -5.046 3.706 1.00 0.00 H new ATOM 933 N LYS A 60 6.634 -9.448 4.573 1.00 0.00 N ATOM 934 CA LYS A 60 6.630 -10.910 4.638 1.00 0.00 C ATOM 935 C LYS A 60 6.288 -11.561 3.297 1.00 0.00 C ATOM 936 O LYS A 60 6.368 -12.780 3.157 1.00 0.00 O ATOM 937 CB LYS A 60 5.626 -11.378 5.692 1.00 0.00 C ATOM 938 CG LYS A 60 4.202 -10.924 5.411 1.00 0.00 C ATOM 939 CD LYS A 60 3.214 -12.072 5.540 1.00 0.00 C ATOM 940 CE LYS A 60 3.094 -12.542 6.981 1.00 0.00 C ATOM 941 NZ LYS A 60 2.084 -13.625 7.132 1.00 0.00 N ATOM 0 H LYS A 60 5.864 -9.003 5.073 1.00 0.00 H new ATOM 0 HA LYS A 60 7.641 -11.218 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.649 -12.466 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.933 -11.003 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.929 -10.129 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.145 -10.505 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.236 -11.755 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.534 -12.902 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.064 -12.900 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.820 -11.699 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.034 -13.916 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.153 -13.277 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.359 -14.440 6.547 1.00 0.00 H new ATOM 955 N LEU A 61 5.907 -10.752 2.318 1.00 0.00 N ATOM 956 CA LEU A 61 5.515 -11.269 1.008 1.00 0.00 C ATOM 957 C LEU A 61 6.675 -11.392 0.025 1.00 0.00 C ATOM 958 O LEU A 61 6.757 -12.368 -0.720 1.00 0.00 O ATOM 959 CB LEU A 61 4.431 -10.375 0.420 1.00 0.00 C ATOM 960 CG LEU A 61 3.004 -10.876 0.622 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.799 -11.407 2.035 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.016 -9.768 0.326 1.00 0.00 C ATOM 0 H LEU A 61 5.860 -9.737 2.403 1.00 0.00 H new ATOM 0 HA LEU A 61 5.142 -12.281 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.518 -9.383 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.613 -10.263 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 61 2.833 -11.699 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.773 -11.756 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.486 -12.234 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.992 -10.611 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.001 -10.137 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.198 -8.929 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.136 -9.439 -0.706 1.00 0.00 H new ATOM 974 N LEU A 62 7.563 -10.410 0.018 1.00 0.00 N ATOM 975 CA LEU A 62 8.693 -10.421 -0.899 1.00 0.00 C ATOM 976 C LEU A 62 9.547 -11.653 -0.665 1.00 0.00 C ATOM 977 O LEU A 62 10.394 -12.009 -1.485 1.00 0.00 O ATOM 978 CB LEU A 62 9.520 -9.159 -0.711 1.00 0.00 C ATOM 979 CG LEU A 62 8.720 -7.862 -0.789 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.325 -6.814 0.132 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.669 -7.353 -2.224 1.00 0.00 C ATOM 0 H LEU A 62 7.524 -9.598 0.634 1.00 0.00 H new ATOM 0 HA LEU A 62 8.320 -10.450 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.018 -9.207 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.302 -9.135 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 62 7.700 -8.061 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.745 -5.894 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.311 -7.180 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.354 -6.616 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.095 -6.427 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.682 -7.166 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.194 -8.101 -2.859 1.00 0.00 H new ATOM 993 N GLU A 63 9.314 -12.293 0.469 1.00 0.00 N ATOM 994 CA GLU A 63 10.032 -13.498 0.833 1.00 0.00 C ATOM 995 C GLU A 63 9.132 -14.701 0.634 1.00 0.00 C ATOM 996 O GLU A 63 9.598 -15.811 0.379 1.00 0.00 O ATOM 997 CB GLU A 63 10.460 -13.432 2.291 1.00 0.00 C ATOM 998 CG GLU A 63 11.000 -12.076 2.714 1.00 0.00 C ATOM 999 CD GLU A 63 11.463 -12.059 4.157 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.637 -12.402 4.409 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.650 -11.704 5.037 1.00 0.00 O ATOM 0 H GLU A 63 8.625 -11.992 1.158 1.00 0.00 H new ATOM 0 HA GLU A 63 10.917 -13.587 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.608 -13.685 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.224 -14.188 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.832 -11.802 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.226 -11.321 2.575 1.00 0.00 H new ATOM 1008 N ASP A 64 7.831 -14.462 0.757 1.00 0.00 N ATOM 1009 CA ASP A 64 6.848 -15.515 0.599 1.00 0.00 C ATOM 1010 C ASP A 64 6.956 -16.117 -0.791 1.00 0.00 C ATOM 1011 O ASP A 64 7.152 -15.408 -1.773 1.00 0.00 O ATOM 1012 CB ASP A 64 5.439 -14.966 0.838 1.00 0.00 C ATOM 1013 CG ASP A 64 4.402 -16.064 0.952 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.567 -16.950 1.818 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.420 -16.034 0.183 1.00 0.00 O ATOM 0 H ASP A 64 7.437 -13.545 0.966 1.00 0.00 H new ATOM 0 HA ASP A 64 7.042 -16.295 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.434 -14.370 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.169 -14.298 0.020 1.00 0.00 H new ATOM 1020 N ASP A 65 6.857 -17.430 -0.859 1.00 0.00 N ATOM 1021 CA ASP A 65 6.951 -18.136 -2.136 1.00 0.00 C ATOM 1022 C ASP A 65 5.614 -18.743 -2.555 1.00 0.00 C ATOM 1023 O ASP A 65 5.573 -19.848 -3.096 1.00 0.00 O ATOM 1024 CB ASP A 65 8.009 -19.236 -2.050 1.00 0.00 C ATOM 1025 CG ASP A 65 9.399 -18.686 -1.800 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.746 -18.464 -0.621 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.140 -18.478 -2.783 1.00 0.00 O ATOM 0 H ASP A 65 6.712 -18.035 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 65 7.237 -17.404 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.746 -19.927 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.010 -19.808 -2.978 1.00 0.00 H new ATOM 1032 N SER A 66 4.522 -18.022 -2.317 1.00 0.00 N ATOM 1033 CA SER A 66 3.202 -18.522 -2.681 1.00 0.00 C ATOM 1034 C SER A 66 2.859 -18.178 -4.127 1.00 0.00 C ATOM 1035 O SER A 66 2.134 -18.915 -4.795 1.00 0.00 O ATOM 1036 CB SER A 66 2.141 -17.961 -1.739 1.00 0.00 C ATOM 1037 OG SER A 66 2.352 -18.405 -0.409 1.00 0.00 O ATOM 0 H SER A 66 4.525 -17.101 -1.879 1.00 0.00 H new ATOM 0 HA SER A 66 3.219 -19.608 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.163 -16.872 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.151 -18.270 -2.076 1.00 0.00 H new ATOM 0 HG SER A 66 2.654 -17.653 0.143 1.00 0.00 H new ATOM 1043 N GLY A 67 3.385 -17.054 -4.603 1.00 0.00 N ATOM 1044 CA GLY A 67 3.118 -16.624 -5.966 1.00 0.00 C ATOM 1045 C GLY A 67 2.345 -15.321 -6.010 1.00 0.00 C ATOM 1046 O GLY A 67 2.939 -14.244 -6.003 1.00 0.00 O ATOM 0 H GLY A 67 3.992 -16.432 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.061 -16.504 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.554 -17.398 -6.486 1.00 0.00 H new ATOM 1050 N PHE A 68 1.018 -15.415 -6.061 1.00 0.00 N ATOM 1051 CA PHE A 68 0.173 -14.224 -6.089 1.00 0.00 C ATOM 1052 C PHE A 68 0.456 -13.376 -4.856 1.00 0.00 C ATOM 1053 O PHE A 68 0.366 -12.149 -4.888 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.306 -14.622 -6.116 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.191 -13.665 -6.870 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.329 -12.340 -6.471 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.901 -14.100 -7.979 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.157 -11.479 -7.165 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.727 -13.241 -8.675 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.855 -11.929 -8.268 1.00 0.00 C ATOM 0 H PHE A 68 0.507 -16.298 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 68 0.396 -13.649 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.396 -15.612 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.668 -14.702 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.784 -11.981 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.806 -15.126 -8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.258 -10.453 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.272 -13.595 -9.537 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.500 -11.255 -8.811 1.00 0.00 H new ATOM 1070 N VAL A 69 0.809 -14.058 -3.770 1.00 0.00 N ATOM 1071 CA VAL A 69 1.119 -13.406 -2.505 1.00 0.00 C ATOM 1072 C VAL A 69 2.424 -12.619 -2.599 1.00 0.00 C ATOM 1073 O VAL A 69 2.476 -11.438 -2.255 1.00 0.00 O ATOM 1074 CB VAL A 69 1.217 -14.441 -1.366 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.361 -13.760 -0.015 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.005 -15.360 -1.372 1.00 0.00 C ATOM 0 H VAL A 69 0.888 -15.075 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 69 0.308 -12.712 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 69 2.110 -15.042 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.428 -14.515 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.265 -13.151 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.494 -13.125 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.093 -16.083 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.900 -14.769 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.047 -15.887 -2.324 1.00 0.00 H new ATOM 1086 N ARG A 70 3.473 -13.282 -3.077 1.00 0.00 N ATOM 1087 CA ARG A 70 4.787 -12.659 -3.220 1.00 0.00 C ATOM 1088 C ARG A 70 4.745 -11.469 -4.176 1.00 0.00 C ATOM 1089 O ARG A 70 5.077 -10.344 -3.803 1.00 0.00 O ATOM 1090 CB ARG A 70 5.795 -13.688 -3.734 1.00 0.00 C ATOM 1091 CG ARG A 70 7.229 -13.183 -3.767 1.00 0.00 C ATOM 1092 CD ARG A 70 8.152 -14.171 -4.466 1.00 0.00 C ATOM 1093 NE ARG A 70 7.756 -14.405 -5.853 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.288 -15.349 -6.627 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.232 -16.149 -6.150 1.00 0.00 N ATOM 1096 NH2 ARG A 70 7.877 -15.491 -7.879 1.00 0.00 N ATOM 0 H ARG A 70 3.439 -14.257 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 70 5.091 -12.296 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.747 -14.575 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.505 -13.995 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.266 -12.223 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.580 -13.013 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.174 -13.793 -4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.148 -15.116 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 70 7.029 -13.810 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.553 -16.042 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.637 -16.871 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.152 -14.877 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.285 -16.214 -8.471 1.00 0.00 H new ATOM 1110 N SER A 71 4.328 -11.735 -5.410 1.00 0.00 N ATOM 1111 CA SER A 71 4.250 -10.711 -6.449 1.00 0.00 C ATOM 1112 C SER A 71 3.486 -9.479 -5.976 1.00 0.00 C ATOM 1113 O SER A 71 3.718 -8.372 -6.463 1.00 0.00 O ATOM 1114 CB SER A 71 3.575 -11.284 -7.696 1.00 0.00 C ATOM 1115 OG SER A 71 4.318 -12.369 -8.225 1.00 0.00 O ATOM 0 H SER A 71 4.035 -12.662 -5.718 1.00 0.00 H new ATOM 0 HA SER A 71 5.269 -10.404 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.567 -11.616 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.477 -10.504 -8.451 1.00 0.00 H new ATOM 0 HG SER A 71 4.088 -13.190 -7.741 1.00 0.00 H new ATOM 1121 N GLY A 72 2.575 -9.674 -5.029 1.00 0.00 N ATOM 1122 CA GLY A 72 1.797 -8.564 -4.511 1.00 0.00 C ATOM 1123 C GLY A 72 2.672 -7.456 -3.961 1.00 0.00 C ATOM 1124 O GLY A 72 2.567 -6.304 -4.379 1.00 0.00 O ATOM 0 H GLY A 72 2.362 -10.580 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.165 -8.165 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.133 -8.924 -3.725 1.00 0.00 H new ATOM 1128 N ALA A 73 3.532 -7.811 -3.018 1.00 0.00 N ATOM 1129 CA ALA A 73 4.440 -6.853 -2.401 1.00 0.00 C ATOM 1130 C ALA A 73 5.372 -6.212 -3.424 1.00 0.00 C ATOM 1131 O ALA A 73 5.663 -5.019 -3.347 1.00 0.00 O ATOM 1132 CB ALA A 73 5.256 -7.542 -1.322 1.00 0.00 C ATOM 0 H ALA A 73 3.621 -8.762 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 73 3.837 -6.059 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.934 -6.822 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.587 -7.946 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.834 -8.353 -1.765 1.00 0.00 H new ATOM 1138 N ALA A 74 5.832 -7.009 -4.382 1.00 0.00 N ATOM 1139 CA ALA A 74 6.754 -6.527 -5.407 1.00 0.00 C ATOM 1140 C ALA A 74 6.229 -5.280 -6.117 1.00 0.00 C ATOM 1141 O ALA A 74 6.973 -4.324 -6.337 1.00 0.00 O ATOM 1142 CB ALA A 74 7.036 -7.628 -6.416 1.00 0.00 C ATOM 0 H ALA A 74 5.582 -7.994 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 74 7.681 -6.247 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.724 -7.258 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.482 -8.482 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.104 -7.935 -6.890 1.00 0.00 H new ATOM 1148 N ARG A 75 4.948 -5.295 -6.476 1.00 0.00 N ATOM 1149 CA ARG A 75 4.339 -4.166 -7.175 1.00 0.00 C ATOM 1150 C ARG A 75 3.865 -3.085 -6.207 1.00 0.00 C ATOM 1151 O ARG A 75 3.946 -1.895 -6.510 1.00 0.00 O ATOM 1152 CB ARG A 75 3.164 -4.646 -8.031 1.00 0.00 C ATOM 1153 CG ARG A 75 2.177 -5.524 -7.279 1.00 0.00 C ATOM 1154 CD ARG A 75 0.945 -5.823 -8.118 1.00 0.00 C ATOM 1155 NE ARG A 75 1.298 -6.312 -9.449 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.720 -5.887 -10.569 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.237 -4.968 -10.520 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.099 -6.380 -11.740 1.00 0.00 N ATOM 0 H ARG A 75 4.313 -6.073 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 75 5.104 -3.728 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.636 -3.778 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.552 -5.200 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.662 -6.459 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.878 -5.028 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.331 -6.566 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.341 -4.920 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 75 2.029 -7.019 -9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.531 -4.585 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.678 -4.644 -11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.834 -7.086 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.655 -6.054 -12.598 1.00 0.00 H new ATOM 1172 N SER A 76 3.380 -3.503 -5.044 1.00 0.00 N ATOM 1173 CA SER A 76 2.875 -2.568 -4.040 1.00 0.00 C ATOM 1174 C SER A 76 3.970 -1.639 -3.521 1.00 0.00 C ATOM 1175 O SER A 76 3.714 -0.471 -3.232 1.00 0.00 O ATOM 1176 CB SER A 76 2.247 -3.334 -2.878 1.00 0.00 C ATOM 1177 OG SER A 76 1.142 -4.106 -3.315 1.00 0.00 O ATOM 0 H SER A 76 3.325 -4.484 -4.771 1.00 0.00 H new ATOM 0 HA SER A 76 2.118 -1.949 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.993 -3.986 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.924 -2.633 -2.109 1.00 0.00 H new ATOM 0 HG SER A 76 1.464 -4.935 -3.726 1.00 0.00 H new ATOM 1183 N LEU A 77 5.186 -2.158 -3.392 1.00 0.00 N ATOM 1184 CA LEU A 77 6.305 -1.353 -2.901 1.00 0.00 C ATOM 1185 C LEU A 77 6.589 -0.176 -3.831 1.00 0.00 C ATOM 1186 O LEU A 77 6.500 0.982 -3.421 1.00 0.00 O ATOM 1187 CB LEU A 77 7.566 -2.210 -2.753 1.00 0.00 C ATOM 1188 CG LEU A 77 7.550 -3.236 -1.613 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.908 -3.898 -1.492 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.166 -2.594 -0.289 1.00 0.00 C ATOM 0 H LEU A 77 5.424 -3.124 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 77 6.023 -0.963 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.733 -2.740 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.418 -1.546 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 77 6.798 -3.988 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.887 -4.625 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.150 -4.404 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.664 -3.141 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.165 -3.351 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.886 -1.814 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.171 -2.156 -0.372 1.00 0.00 H new ATOM 1202 N GLU A 78 6.933 -0.471 -5.083 1.00 0.00 N ATOM 1203 CA GLU A 78 7.210 0.576 -6.061 1.00 0.00 C ATOM 1204 C GLU A 78 5.967 1.429 -6.293 1.00 0.00 C ATOM 1205 O GLU A 78 6.053 2.559 -6.775 1.00 0.00 O ATOM 1206 CB GLU A 78 7.683 -0.034 -7.384 1.00 0.00 C ATOM 1207 CG GLU A 78 8.147 1.000 -8.399 1.00 0.00 C ATOM 1208 CD GLU A 78 8.531 0.381 -9.729 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.636 0.208 -10.584 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.725 0.069 -9.916 1.00 0.00 O ATOM 0 H GLU A 78 7.026 -1.421 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 78 8.004 1.211 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.500 -0.727 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.870 -0.617 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.353 1.729 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.002 1.542 -7.995 1.00 0.00 H new ATOM 1217 N GLN A 79 4.814 0.874 -5.940 1.00 0.00 N ATOM 1218 CA GLN A 79 3.541 1.568 -6.094 1.00 0.00 C ATOM 1219 C GLN A 79 3.510 2.824 -5.231 1.00 0.00 C ATOM 1220 O GLN A 79 2.781 3.774 -5.520 1.00 0.00 O ATOM 1221 CB GLN A 79 2.400 0.634 -5.693 1.00 0.00 C ATOM 1222 CG GLN A 79 1.017 1.108 -6.104 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.060 0.133 -5.675 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.203 0.516 -5.424 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.306 -1.144 -5.584 1.00 0.00 N ATOM 0 H GLN A 79 4.734 -0.062 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 79 3.423 1.862 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.579 -0.346 -6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.418 0.504 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.821 2.085 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.983 1.235 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.264 -1.417 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.372 -1.850 -5.297 1.00 0.00 H new ATOM 1234 N ILE A 80 4.305 2.815 -4.165 1.00 0.00 N ATOM 1235 CA ILE A 80 4.375 3.947 -3.248 1.00 0.00 C ATOM 1236 C ILE A 80 5.463 4.927 -3.670 1.00 0.00 C ATOM 1237 O ILE A 80 5.191 6.095 -3.948 1.00 0.00 O ATOM 1238 CB ILE A 80 4.662 3.488 -1.803 1.00 0.00 C ATOM 1239 CG1 ILE A 80 4.073 2.095 -1.545 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.113 4.498 -0.807 1.00 0.00 C ATOM 1241 CD1 ILE A 80 2.574 2.007 -1.740 1.00 0.00 C ATOM 0 H ILE A 80 4.911 2.034 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 80 3.403 4.438 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 80 5.742 3.426 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.557 1.380 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.313 1.795 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.323 4.160 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.586 5.466 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.036 4.593 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.240 0.989 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.077 2.695 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.324 2.273 -2.767 1.00 0.00 H new ATOM 1253 N GLY A 81 6.699 4.436 -3.713 1.00 0.00 N ATOM 1254 CA GLY A 81 7.821 5.272 -4.094 1.00 0.00 C ATOM 1255 C GLY A 81 8.135 6.329 -3.054 1.00 0.00 C ATOM 1256 O GLY A 81 7.492 7.379 -3.014 1.00 0.00 O ATOM 0 H GLY A 81 6.942 3.471 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.700 4.647 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.603 5.756 -5.046 1.00 0.00 H new ATOM 1260 N GLY A 82 9.124 6.051 -2.211 1.00 0.00 N ATOM 1261 CA GLY A 82 9.508 6.994 -1.178 1.00 0.00 C ATOM 1262 C GLY A 82 10.468 6.391 -0.171 1.00 0.00 C ATOM 1263 O GLY A 82 10.921 5.259 -0.337 1.00 0.00 O ATOM 0 H GLY A 82 9.667 5.188 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.971 7.866 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.615 7.344 -0.660 1.00 0.00 H new ATOM 1267 N GLU A 83 10.777 7.149 0.877 1.00 0.00 N ATOM 1268 CA GLU A 83 11.691 6.682 1.911 1.00 0.00 C ATOM 1269 C GLU A 83 11.041 5.584 2.749 1.00 0.00 C ATOM 1270 O GLU A 83 11.730 4.766 3.357 1.00 0.00 O ATOM 1271 CB GLU A 83 12.121 7.847 2.807 1.00 0.00 C ATOM 1272 CG GLU A 83 13.275 7.509 3.741 1.00 0.00 C ATOM 1273 CD GLU A 83 13.674 8.677 4.622 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.071 8.838 5.704 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.591 9.431 4.231 1.00 0.00 O ATOM 0 H GLU A 83 10.408 8.087 1.031 1.00 0.00 H new ATOM 0 HA GLU A 83 12.575 6.268 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.409 8.690 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.267 8.170 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.993 6.664 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.135 7.194 3.150 1.00 0.00 H new ATOM 1282 N ARG A 84 9.709 5.571 2.774 1.00 0.00 N ATOM 1283 CA ARG A 84 8.969 4.570 3.536 1.00 0.00 C ATOM 1284 C ARG A 84 9.249 3.170 2.999 1.00 0.00 C ATOM 1285 O ARG A 84 9.624 2.271 3.751 1.00 0.00 O ATOM 1286 CB ARG A 84 7.457 4.866 3.530 1.00 0.00 C ATOM 1287 CG ARG A 84 6.770 4.707 2.175 1.00 0.00 C ATOM 1288 CD ARG A 84 7.228 5.760 1.180 1.00 0.00 C ATOM 1289 NE ARG A 84 7.085 7.112 1.712 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.710 8.160 0.983 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.422 8.009 -0.303 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.622 9.359 1.543 1.00 0.00 N ATOM 0 H ARG A 84 9.123 6.241 2.276 1.00 0.00 H new ATOM 0 HA ARG A 84 9.311 4.617 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.970 4.204 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.301 5.886 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.980 3.715 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.690 4.776 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.271 5.582 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.648 5.668 0.262 1.00 0.00 H new ATOM 0 HE ARG A 84 7.284 7.262 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.488 7.088 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.135 8.814 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.842 9.477 2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.335 10.163 0.985 1.00 0.00 H new ATOM 1306 N VAL A 85 9.060 2.990 1.699 1.00 0.00 N ATOM 1307 CA VAL A 85 9.308 1.706 1.061 1.00 0.00 C ATOM 1308 C VAL A 85 10.801 1.412 1.006 1.00 0.00 C ATOM 1309 O VAL A 85 11.216 0.256 0.946 1.00 0.00 O ATOM 1310 CB VAL A 85 8.715 1.660 -0.357 1.00 0.00 C ATOM 1311 CG1 VAL A 85 9.070 0.356 -1.053 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.209 1.843 -0.298 1.00 0.00 C ATOM 0 H VAL A 85 8.735 3.720 1.065 1.00 0.00 H new ATOM 0 HA VAL A 85 8.816 0.942 1.663 1.00 0.00 H new ATOM 0 HB VAL A 85 9.145 2.476 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.639 0.349 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.154 0.265 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.672 -0.482 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.799 1.809 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.769 1.045 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.977 2.807 0.156 1.00 0.00 H new ATOM 1322 N ARG A 86 11.605 2.472 1.035 1.00 0.00 N ATOM 1323 CA ARG A 86 13.057 2.338 0.987 1.00 0.00 C ATOM 1324 C ARG A 86 13.547 1.403 2.089 1.00 0.00 C ATOM 1325 O ARG A 86 14.587 0.760 1.955 1.00 0.00 O ATOM 1326 CB ARG A 86 13.718 3.713 1.120 1.00 0.00 C ATOM 1327 CG ARG A 86 15.216 3.708 0.857 1.00 0.00 C ATOM 1328 CD ARG A 86 16.013 3.527 2.140 1.00 0.00 C ATOM 1329 NE ARG A 86 15.760 4.604 3.094 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.707 5.172 3.836 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.966 4.768 3.737 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.394 6.150 4.676 1.00 0.00 N ATOM 0 H ARG A 86 11.274 3.435 1.092 1.00 0.00 H new ATOM 0 HA ARG A 86 13.334 1.907 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.240 4.403 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.537 4.096 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.460 2.906 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.504 4.644 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.756 2.571 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 86 17.077 3.492 1.905 1.00 0.00 H new ATOM 0 HE ARG A 86 14.802 4.940 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.212 4.019 3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.689 5.206 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.427 6.466 4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.120 6.586 5.245 1.00 0.00 H new ATOM 1346 N ALA A 87 12.786 1.335 3.177 1.00 0.00 N ATOM 1347 CA ALA A 87 13.127 0.476 4.302 1.00 0.00 C ATOM 1348 C ALA A 87 12.593 -0.932 4.077 1.00 0.00 C ATOM 1349 O ALA A 87 13.175 -1.911 4.546 1.00 0.00 O ATOM 1350 CB ALA A 87 12.576 1.054 5.597 1.00 0.00 C ATOM 0 H ALA A 87 11.925 1.868 3.302 1.00 0.00 H new ATOM 0 HA ALA A 87 14.213 0.424 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.839 0.400 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.002 2.043 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.491 1.133 5.527 1.00 0.00 H new ATOM 1356 N ALA A 88 11.481 -1.023 3.354 1.00 0.00 N ATOM 1357 CA ALA A 88 10.863 -2.308 3.060 1.00 0.00 C ATOM 1358 C ALA A 88 11.712 -3.085 2.066 1.00 0.00 C ATOM 1359 O ALA A 88 11.860 -4.302 2.178 1.00 0.00 O ATOM 1360 CB ALA A 88 9.456 -2.113 2.515 1.00 0.00 C ATOM 0 H ALA A 88 10.990 -0.220 2.961 1.00 0.00 H new ATOM 0 HA ALA A 88 10.797 -2.879 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.011 -3.085 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.849 -1.590 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.499 -1.524 1.599 1.00 0.00 H new ATOM 1366 N MET A 89 12.271 -2.371 1.095 1.00 0.00 N ATOM 1367 CA MET A 89 13.113 -2.996 0.093 1.00 0.00 C ATOM 1368 C MET A 89 14.407 -3.472 0.736 1.00 0.00 C ATOM 1369 O MET A 89 14.974 -4.485 0.336 1.00 0.00 O ATOM 1370 CB MET A 89 13.395 -2.022 -1.059 1.00 0.00 C ATOM 1371 CG MET A 89 14.484 -0.995 -0.780 1.00 0.00 C ATOM 1372 SD MET A 89 16.149 -1.675 -0.931 1.00 0.00 S ATOM 1373 CE MET A 89 17.140 -0.221 -0.597 1.00 0.00 C ATOM 0 H MET A 89 12.154 -1.364 0.984 1.00 0.00 H new ATOM 0 HA MET A 89 12.593 -3.859 -0.323 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.676 -2.597 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.473 -1.495 -1.303 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.374 -0.160 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.350 -0.596 0.225 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.995 -0.497 0.019 1.00 0.00 H new ATOM 0 HE2 MET A 89 17.492 0.203 -1.537 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.536 0.518 -0.070 1.00 0.00 H new ATOM 1383 N GLU A 90 14.862 -2.732 1.744 1.00 0.00 N ATOM 1384 CA GLU A 90 16.082 -3.083 2.458 1.00 0.00 C ATOM 1385 C GLU A 90 15.903 -4.402 3.192 1.00 0.00 C ATOM 1386 O GLU A 90 16.794 -5.251 3.193 1.00 0.00 O ATOM 1387 CB GLU A 90 16.455 -1.983 3.453 1.00 0.00 C ATOM 1388 CG GLU A 90 17.106 -0.770 2.810 1.00 0.00 C ATOM 1389 CD GLU A 90 17.416 0.322 3.815 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.487 1.070 4.185 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.589 0.427 4.234 1.00 0.00 O ATOM 0 H GLU A 90 14.403 -1.887 2.083 1.00 0.00 H new ATOM 0 HA GLU A 90 16.887 -3.188 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.557 -1.664 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.134 -2.396 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.027 -1.076 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.446 -0.373 2.039 1.00 0.00 H new ATOM 1398 N LYS A 91 14.743 -4.565 3.820 1.00 0.00 N ATOM 1399 CA LYS A 91 14.447 -5.789 4.557 1.00 0.00 C ATOM 1400 C LYS A 91 14.523 -7.010 3.646 1.00 0.00 C ATOM 1401 O LYS A 91 14.998 -8.069 4.058 1.00 0.00 O ATOM 1402 CB LYS A 91 13.067 -5.700 5.213 1.00 0.00 C ATOM 1403 CG LYS A 91 13.061 -4.900 6.507 1.00 0.00 C ATOM 1404 CD LYS A 91 13.884 -5.586 7.587 1.00 0.00 C ATOM 1405 CE LYS A 91 13.872 -4.802 8.891 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.546 -3.481 8.756 1.00 0.00 N ATOM 0 H LYS A 91 13.997 -3.870 3.834 1.00 0.00 H new ATOM 0 HA LYS A 91 15.199 -5.901 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.368 -5.245 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.704 -6.708 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.460 -3.903 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.035 -4.774 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.491 -6.588 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.911 -5.702 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.842 -4.652 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.368 -5.384 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.651 -3.047 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.485 -3.612 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.974 -2.860 8.150 1.00 0.00 H new ATOM 1420 N LEU A 92 14.062 -6.863 2.408 1.00 0.00 N ATOM 1421 CA LEU A 92 14.099 -7.961 1.457 1.00 0.00 C ATOM 1422 C LEU A 92 15.449 -7.985 0.742 1.00 0.00 C ATOM 1423 O LEU A 92 15.877 -9.021 0.237 1.00 0.00 O ATOM 1424 CB LEU A 92 12.940 -7.827 0.460 1.00 0.00 C ATOM 1425 CG LEU A 92 13.288 -8.117 -0.999 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.308 -9.617 -1.249 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.303 -7.426 -1.929 1.00 0.00 C ATOM 0 H LEU A 92 13.661 -5.998 2.044 1.00 0.00 H new ATOM 0 HA LEU A 92 13.981 -8.907 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.141 -8.503 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.543 -6.814 0.526 1.00 0.00 H new ATOM 0 HG LEU A 92 14.283 -7.722 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.557 -9.809 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.055 -10.083 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.326 -10.036 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.566 -7.643 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.295 -7.789 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.341 -6.349 -1.764 1.00 0.00 H new ATOM 1439 N ALA A 93 16.116 -6.833 0.715 1.00 0.00 N ATOM 1440 CA ALA A 93 17.421 -6.713 0.073 1.00 0.00 C ATOM 1441 C ALA A 93 18.486 -7.434 0.889 1.00 0.00 C ATOM 1442 O ALA A 93 19.543 -7.796 0.372 1.00 0.00 O ATOM 1443 CB ALA A 93 17.794 -5.248 -0.108 1.00 0.00 C ATOM 0 H ALA A 93 15.772 -5.968 1.132 1.00 0.00 H new ATOM 0 HA ALA A 93 17.364 -7.180 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.770 -5.178 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.047 -4.757 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.833 -4.759 0.866 1.00 0.00 H new ATOM 1449 N GLU A 94 18.196 -7.639 2.171 1.00 0.00 N ATOM 1450 CA GLU A 94 19.121 -8.325 3.066 1.00 0.00 C ATOM 1451 C GLU A 94 19.004 -9.830 2.869 1.00 0.00 C ATOM 1452 O GLU A 94 19.945 -10.583 3.122 1.00 0.00 O ATOM 1453 CB GLU A 94 18.824 -7.959 4.522 1.00 0.00 C ATOM 1454 CG GLU A 94 20.067 -7.832 5.388 1.00 0.00 C ATOM 1455 CD GLU A 94 20.933 -9.077 5.361 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.610 -10.042 6.085 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.936 -9.086 4.617 1.00 0.00 O ATOM 0 H GLU A 94 17.327 -7.339 2.613 1.00 0.00 H new ATOM 0 HA GLU A 94 20.138 -8.011 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.278 -7.016 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.169 -8.717 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.655 -6.979 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.768 -7.625 6.416 1.00 0.00 H new ATOM 1464 N THR A 95 17.832 -10.255 2.414 1.00 0.00 N ATOM 1465 CA THR A 95 17.566 -11.661 2.147 1.00 0.00 C ATOM 1466 C THR A 95 17.218 -11.835 0.677 1.00 0.00 C ATOM 1467 O THR A 95 16.568 -12.804 0.283 1.00 0.00 O ATOM 1468 CB THR A 95 16.405 -12.193 3.009 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.207 -11.463 2.719 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.729 -12.075 4.491 1.00 0.00 C ATOM 0 H THR A 95 17.043 -9.638 2.221 1.00 0.00 H new ATOM 0 HA THR A 95 18.462 -12.228 2.398 1.00 0.00 H new ATOM 0 HB THR A 95 16.258 -13.246 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.579 -11.555 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.894 -12.457 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.625 -12.654 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.901 -11.029 4.744 1.00 0.00 H new ATOM 1478 N GLY A 96 17.670 -10.874 -0.126 1.00 0.00 N ATOM 1479 CA GLY A 96 17.398 -10.885 -1.548 1.00 0.00 C ATOM 1480 C GLY A 96 17.813 -12.168 -2.234 1.00 0.00 C ATOM 1481 O GLY A 96 18.974 -12.574 -2.169 1.00 0.00 O ATOM 0 H GLY A 96 18.226 -10.080 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.331 -10.727 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.917 -10.048 -2.015 1.00 0.00 H new ATOM 1485 N THR A 97 16.851 -12.800 -2.890 1.00 0.00 N ATOM 1486 CA THR A 97 17.095 -14.037 -3.620 1.00 0.00 C ATOM 1487 C THR A 97 16.218 -14.109 -4.867 1.00 0.00 C ATOM 1488 O THR A 97 15.006 -13.901 -4.799 1.00 0.00 O ATOM 1489 CB THR A 97 16.834 -15.277 -2.740 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.949 -16.467 -3.527 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.452 -15.216 -2.102 1.00 0.00 C ATOM 0 H THR A 97 15.886 -12.473 -2.932 1.00 0.00 H new ATOM 0 HA THR A 97 18.145 -14.035 -3.913 1.00 0.00 H new ATOM 0 HB THR A 97 17.579 -15.291 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.784 -17.250 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.295 -16.103 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.378 -14.325 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.692 -15.177 -2.883 1.00 0.00 H new ATOM 1499 N GLY A 98 16.839 -14.405 -6.005 1.00 0.00 N ATOM 1500 CA GLY A 98 16.107 -14.496 -7.257 1.00 0.00 C ATOM 1501 C GLY A 98 15.373 -13.212 -7.607 1.00 0.00 C ATOM 1502 O GLY A 98 15.904 -12.116 -7.426 1.00 0.00 O ATOM 0 H GLY A 98 17.840 -14.584 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.801 -14.743 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.389 -15.314 -7.194 1.00 0.00 H new ATOM 1506 N PHE A 99 14.150 -13.353 -8.111 1.00 0.00 N ATOM 1507 CA PHE A 99 13.333 -12.201 -8.494 1.00 0.00 C ATOM 1508 C PHE A 99 13.060 -11.299 -7.295 1.00 0.00 C ATOM 1509 O PHE A 99 12.932 -10.083 -7.437 1.00 0.00 O ATOM 1510 CB PHE A 99 12.009 -12.678 -9.103 1.00 0.00 C ATOM 1511 CG PHE A 99 10.978 -11.593 -9.256 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.045 -10.693 -10.309 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.938 -11.477 -8.347 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.096 -9.698 -10.450 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.987 -10.485 -8.483 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.065 -9.594 -9.535 1.00 0.00 C ATOM 0 H PHE A 99 13.700 -14.256 -8.265 1.00 0.00 H new ATOM 0 HA PHE A 99 13.885 -11.623 -9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.208 -13.116 -10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.598 -13.470 -8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.848 -10.770 -11.027 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.871 -12.171 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.160 -9.003 -11.274 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.183 -10.406 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.322 -8.818 -9.643 1.00 0.00 H new ATOM 1526 N ALA A 100 12.976 -11.904 -6.117 1.00 0.00 N ATOM 1527 CA ALA A 100 12.706 -11.165 -4.888 1.00 0.00 C ATOM 1528 C ALA A 100 13.693 -10.019 -4.684 1.00 0.00 C ATOM 1529 O ALA A 100 13.304 -8.920 -4.296 1.00 0.00 O ATOM 1530 CB ALA A 100 12.742 -12.106 -3.693 1.00 0.00 C ATOM 0 H ALA A 100 13.091 -12.909 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 100 11.711 -10.730 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.539 -11.544 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.986 -12.881 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.727 -12.568 -3.623 1.00 0.00 H new ATOM 1536 N ARG A 101 14.968 -10.277 -4.948 1.00 0.00 N ATOM 1537 CA ARG A 101 16.007 -9.266 -4.768 1.00 0.00 C ATOM 1538 C ARG A 101 15.862 -8.112 -5.755 1.00 0.00 C ATOM 1539 O ARG A 101 15.733 -6.957 -5.348 1.00 0.00 O ATOM 1540 CB ARG A 101 17.384 -9.894 -4.926 1.00 0.00 C ATOM 1541 CG ARG A 101 18.523 -8.909 -4.715 1.00 0.00 C ATOM 1542 CD ARG A 101 19.756 -9.591 -4.149 1.00 0.00 C ATOM 1543 NE ARG A 101 20.879 -8.665 -4.008 1.00 0.00 N ATOM 1544 CZ ARG A 101 22.003 -8.958 -3.360 1.00 0.00 C ATOM 1545 NH1 ARG A 101 22.157 -10.146 -2.790 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.977 -8.060 -3.280 1.00 0.00 N ATOM 0 H ARG A 101 15.309 -11.176 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 101 15.893 -8.865 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.485 -10.714 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.466 -10.326 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.773 -8.433 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.200 -8.119 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.518 -10.022 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.046 -10.415 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 101 20.795 -7.741 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.411 -10.840 -2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.021 -10.366 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.864 -7.145 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.839 -8.285 -2.783 1.00 0.00 H new ATOM 1560 N LYS A 102 15.897 -8.431 -7.049 1.00 0.00 N ATOM 1561 CA LYS A 102 15.780 -7.417 -8.095 1.00 0.00 C ATOM 1562 C LYS A 102 14.647 -6.446 -7.786 1.00 0.00 C ATOM 1563 O LYS A 102 14.696 -5.276 -8.158 1.00 0.00 O ATOM 1564 CB LYS A 102 15.547 -8.079 -9.455 1.00 0.00 C ATOM 1565 CG LYS A 102 15.330 -7.086 -10.586 1.00 0.00 C ATOM 1566 CD LYS A 102 15.117 -7.786 -11.919 1.00 0.00 C ATOM 1567 CE LYS A 102 16.438 -8.178 -12.564 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.127 -9.269 -11.819 1.00 0.00 N ATOM 0 H LYS A 102 16.005 -9.384 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 102 16.714 -6.857 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.404 -8.709 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.679 -8.735 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.465 -6.462 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.192 -6.422 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.506 -8.676 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.564 -7.130 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.258 -8.499 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.090 -7.306 -12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.691 -9.839 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.753 -8.856 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.419 -9.875 -11.357 1.00 0.00 H new ATOM 1582 N VAL A 103 13.632 -6.942 -7.096 1.00 0.00 N ATOM 1583 CA VAL A 103 12.484 -6.132 -6.718 1.00 0.00 C ATOM 1584 C VAL A 103 12.903 -4.954 -5.839 1.00 0.00 C ATOM 1585 O VAL A 103 12.644 -3.797 -6.168 1.00 0.00 O ATOM 1586 CB VAL A 103 11.447 -6.988 -5.966 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.488 -6.117 -5.165 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.682 -7.871 -6.938 1.00 0.00 C ATOM 0 H VAL A 103 13.580 -7.912 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 103 12.039 -5.743 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 103 11.984 -7.626 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.769 -6.750 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.050 -5.533 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.959 -5.444 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.954 -8.469 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.165 -7.247 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.378 -8.531 -7.455 1.00 0.00 H new ATOM 1598 N ALA A 104 13.552 -5.263 -4.722 1.00 0.00 N ATOM 1599 CA ALA A 104 13.999 -4.244 -3.776 1.00 0.00 C ATOM 1600 C ALA A 104 15.039 -3.306 -4.384 1.00 0.00 C ATOM 1601 O ALA A 104 14.886 -2.084 -4.356 1.00 0.00 O ATOM 1602 CB ALA A 104 14.577 -4.912 -2.540 1.00 0.00 C ATOM 0 H ALA A 104 13.782 -6.218 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 104 13.130 -3.643 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.910 -4.149 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.813 -5.531 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.424 -5.536 -2.826 1.00 0.00 H new ATOM 1608 N VAL A 105 16.095 -3.894 -4.926 1.00 0.00 N ATOM 1609 CA VAL A 105 17.200 -3.139 -5.516 1.00 0.00 C ATOM 1610 C VAL A 105 16.773 -2.267 -6.698 1.00 0.00 C ATOM 1611 O VAL A 105 16.901 -1.044 -6.652 1.00 0.00 O ATOM 1612 CB VAL A 105 18.321 -4.084 -5.988 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.569 -3.296 -6.349 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.627 -5.126 -4.923 1.00 0.00 C ATOM 0 H VAL A 105 16.214 -4.906 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 105 17.560 -2.483 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 105 17.978 -4.604 -6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.349 -3.982 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.337 -2.595 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.917 -2.745 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.421 -5.784 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.948 -4.628 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.732 -5.714 -4.721 1.00 0.00 H new ATOM 1624 N ASN A 106 16.274 -2.903 -7.755 1.00 0.00 N ATOM 1625 CA ASN A 106 15.867 -2.187 -8.964 1.00 0.00 C ATOM 1626 C ASN A 106 14.845 -1.091 -8.669 1.00 0.00 C ATOM 1627 O ASN A 106 14.791 -0.084 -9.374 1.00 0.00 O ATOM 1628 CB ASN A 106 15.294 -3.166 -9.991 1.00 0.00 C ATOM 1629 CG ASN A 106 15.299 -2.608 -11.400 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.223 -1.397 -11.605 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.388 -3.496 -12.384 1.00 0.00 N ATOM 0 H ASN A 106 16.141 -3.913 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 106 16.758 -1.708 -9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.873 -4.089 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.273 -3.423 -9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.395 -3.183 -13.355 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.449 -4.491 -12.169 1.00 0.00 H new ATOM 1638 N TYR A 107 14.040 -1.286 -7.630 1.00 0.00 N ATOM 1639 CA TYR A 107 13.023 -0.310 -7.268 1.00 0.00 C ATOM 1640 C TYR A 107 13.659 1.044 -6.971 1.00 0.00 C ATOM 1641 O TYR A 107 13.069 2.091 -7.234 1.00 0.00 O ATOM 1642 CB TYR A 107 12.218 -0.813 -6.068 1.00 0.00 C ATOM 1643 CG TYR A 107 11.622 0.286 -5.220 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.701 1.186 -5.741 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.998 0.423 -3.898 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.171 2.194 -4.958 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.478 1.426 -3.108 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.563 2.309 -3.641 1.00 0.00 C ATOM 1649 OH TYR A 107 10.043 3.311 -2.857 1.00 0.00 O ATOM 0 H TYR A 107 14.073 -2.108 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 107 12.343 -0.181 -8.110 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.415 -1.456 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.864 -1.429 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.395 1.097 -6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.712 -0.268 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.455 2.887 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.786 1.520 -2.077 1.00 0.00 H new ATOM 0 HH TYR A 107 10.714 3.595 -2.202 1.00 0.00 H new ATOM 1659 N LEU A 108 14.869 1.008 -6.426 1.00 0.00 N ATOM 1660 CA LEU A 108 15.598 2.224 -6.084 1.00 0.00 C ATOM 1661 C LEU A 108 15.742 3.151 -7.289 1.00 0.00 C ATOM 1662 O LEU A 108 15.925 4.359 -7.135 1.00 0.00 O ATOM 1663 CB LEU A 108 16.979 1.868 -5.535 1.00 0.00 C ATOM 1664 CG LEU A 108 17.001 1.361 -4.089 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.419 0.993 -3.681 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.429 2.410 -3.145 1.00 0.00 C ATOM 0 H LEU A 108 15.369 0.145 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 108 15.026 2.752 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.421 1.105 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.617 2.750 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 108 16.379 0.468 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.420 0.634 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.795 0.209 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.060 1.871 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.453 2.032 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.025 3.321 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.399 2.630 -3.426 1.00 0.00 H new ATOM 1678 N GLU A 109 15.659 2.581 -8.485 1.00 0.00 N ATOM 1679 CA GLU A 109 15.784 3.357 -9.717 1.00 0.00 C ATOM 1680 C GLU A 109 14.488 4.095 -10.051 1.00 0.00 C ATOM 1681 O GLU A 109 14.369 4.704 -11.115 1.00 0.00 O ATOM 1682 CB GLU A 109 16.181 2.444 -10.878 1.00 0.00 C ATOM 1683 CG GLU A 109 17.651 2.056 -10.871 1.00 0.00 C ATOM 1684 CD GLU A 109 18.059 1.327 -9.605 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.408 2.005 -8.615 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.032 0.079 -9.602 1.00 0.00 O ATOM 0 H GLU A 109 15.506 1.583 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 109 16.563 4.103 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.575 1.539 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.950 2.945 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.859 1.422 -11.733 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.260 2.953 -10.981 1.00 0.00 H new ATOM 1693 N THR A 110 13.523 4.041 -9.138 1.00 0.00 N ATOM 1694 CA THR A 110 12.237 4.703 -9.341 1.00 0.00 C ATOM 1695 C THR A 110 11.895 5.628 -8.174 1.00 0.00 C ATOM 1696 O THR A 110 11.977 6.850 -8.298 1.00 0.00 O ATOM 1697 CB THR A 110 11.102 3.674 -9.517 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.384 2.819 -10.631 1.00 0.00 O ATOM 1699 CG2 THR A 110 9.763 4.367 -9.732 1.00 0.00 C ATOM 0 H THR A 110 13.606 3.546 -8.250 1.00 0.00 H new ATOM 0 HA THR A 110 12.329 5.297 -10.250 1.00 0.00 H new ATOM 0 HB THR A 110 11.041 3.079 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.902 1.972 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.981 3.618 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.535 4.993 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.814 4.987 -10.627 1.00 0.00 H new ATOM 1707 N HIS A 111 11.496 5.027 -7.050 1.00 0.00 N ATOM 1708 CA HIS A 111 11.130 5.769 -5.839 1.00 0.00 C ATOM 1709 C HIS A 111 10.237 6.967 -6.162 1.00 0.00 C ATOM 1710 O HIS A 111 9.138 6.750 -6.714 1.00 0.00 O ATOM 1711 CB HIS A 111 12.376 6.202 -5.044 1.00 0.00 C ATOM 1712 CG HIS A 111 13.344 7.064 -5.799 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.220 6.568 -6.741 1.00 0.00 N ATOM 1714 CD2 HIS A 111 13.570 8.400 -5.746 1.00 0.00 C ATOM 1715 CE1 HIS A 111 14.942 7.558 -7.235 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.567 8.679 -6.648 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.633 8.109 -5.850 1.00 0.00 O ATOM 0 H HIS A 111 11.417 4.015 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 111 10.555 5.092 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.051 6.741 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.899 5.309 -4.702 1.00 0.00 H new ATOM 0 HD1 HIS A 111 14.299 5.588 -7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.061 9.112 -5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.708 7.466 -7.990 1.00 0.00 H new